SCHEMBL2346437

SCHEMBL2346437

COCc1ccc([N+](=O)[O-])c(O)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GPR35 Q9HC97 2/20 0.51
▸ SNCA P37840 2/20 0.46
▸ SIRT6 Q8N6T7 1/20 0.43
▸ MAPT P10636 3/20 0.41
▸ HPGD P15428 3/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ POLB P06746 2/20 0.41
▸ CYP3A4 P08684 2/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ RECQL P46063 1/20 0.41
▸ BLM P54132 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ THRB P10828 1/20 0.40
▸ PKM P14618 1/20 0.40
▸ SMN1; SMN2 Q16637 3/20 0.40
▸ TP53 P04637 2/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8170826 0.87 GPR35 (0.49) GPR35SNCASIRT6MAPTHPGD
SCHEMBL1736274 0.87 POLB (0.52) GPR35SNCAMAPTHPGDALDH1A1
SCHEMBL11247481 0.84 CYP3A4 (0.50) MAPTALDH1A1CYP3A4LMNATDP1
SCHEMBL10819595 0.83 GPR35 (0.47) GPR35SNCASIRT6MAPTHPGD
Hydrochloric Acid SCHEMBL11339240 0.82 IDO1 (0.56) GPR35SNCASIRT6MAPTHPGD
SCHEMBL4962677 0.81 GPR35 (0.56) GPR35SNCASIRT6MAPTHPGD
SCHEMBL27671999 0.81 GPR35 (0.49) GPR35SNCASIRT6MAPTHPGD
SCHEMBL28917367 0.81 GPR35 (0.49) GPR35SNCASIRT6MAPTHPGD
SCHEMBL9198508 0.80 SNCA (0.62) GPR35SNCASIRT6MAPTHPGD
SCHEMBL31449975 0.80 CYP19A1 (0.40) MAPTALDH1A1CYP3A4LMNACYP1A2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8222381-B2 Derivatives of monosaccharides for drug discovery ALCHEMIA LIMITED (AU) 2012-07-17 — — US disclosed
EP-1646606-B1 2-AMINO-5-(SUBSTITUTED OXYMETHYL)-PHENOL COMPOUNDS, DYEING COMPOSITIONS CONTAINING THEM, AND USE THEREOF PROCTER & GAMBLE (US) 2011-08-31 — — EP disclosed
US-7226487-B2 Oxidative dyeing keratin fibers THE PROCTER & GAMBLE COMPANY (US) 2007-06-05 — — US disclosed
US-7226487-B2 Oxidative dyeing keratin fibers THE PROCTER & GAMBLE COMPANY (US) 2007-06-05 — — US disclosed
US-7226487-B2 Oxidative dyeing keratin fibers THE PROCTER & GAMBLE COMPANY (US) 2007-06-05 — — US disclosed
CN-1819989-A 2-(amino or substituted amino)-5-(substituted oxymethyl)-phenol compounds, dyeing compositions containing them, and use thereof PROCTER & GAMBLE (US) 2006-08-16 — — CN disclosed
EP-1646606-A1 2-(AMINO OR SUBSTITUTED AMINO)-5-(SUBSTITUTED OXYMETHYL)-PHENOL COMPOUNDS, DYEING COMPOSITIONS CONTAINING THEM, AND USE THEREOF THE PROCTER & GAMBLE COMPANY (US) 2006-04-19 — — EP disclosed
WO-2005007615-A1 2-(AMINO OR SUBSTITUTED AMINO)-5-(SUBSTITUTED OXYMETHYL)-PHENOL COMPOUNDS, DYEING COMPOSITIONS CONTAINING THEM, AND USE THEREOF THE PROCTER & GAMBLE COMPANY (US) 2005-01-27 — — WO disclosed
US-20050005370-A1 2-(Amino or substituted amino)-5-(substituted oxymethyl)-phenol compounds, dyeing compositions containing them, and use thereof THE PROCTER & GAMBLE COMPANY 2005-01-13 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20050005370-A1 2-(Amino or substituted amino)-5-(substituted oxymethyl)-phenol compounds, dyeing compositions containing them, and use thereof KRT18, LOX, TYR GPR35 1851/4885SNCA 3236/4885SIRT6 2272/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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